[
  {
    "molid": "mol22921",
    "smiles": "CC(C)(C)Oc1cc(N)ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)Oc1cc(N)ccc1C(=O)O",
        "std_free_energy": -4.648852348327637,
        "relative_population": 0.7901755655731451
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C)Oc1cc([NH3+])ccc1C(=O)[O-]",
        "std_free_energy": -3.3228683471679688,
        "relative_population": 0.209824434426855
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)Oc1cc(N)ccc1C(=O)[O-]",
        "std_free_energy": -8.960613250732422,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]